LMPK12050016
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.4558    9.9190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    9.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2109    9.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0881    9.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0881    8.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9980    7.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9078    8.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9078    9.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9980    9.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3338    8.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2109    7.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9980    6.7868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8170    7.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8170    6.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6867    6.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5566    6.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5566    7.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6867    8.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4264    6.3306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6072    8.2412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3525    9.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9118    7.9286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0814    6.1740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5178    6.5669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2965    6.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3869    7.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2621    8.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0417    7.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9514    6.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7311    6.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 24 30  1  0     0  0
 29 23  1  0     0  0
 23 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  1     0  0
 25 19  1  1     0  0
 26 20  1  6     0  0
 27 21  1  1     0  0
 28 22  1  6     0  0
M  END
> <LM_ID>
LMPK12050016

> <COMMON_NAME>
Daidzein 4'-O-glucoside

> <SYSTEMATIC_NAME>
7,4'-Dihydroxyisoflavone 4'-O-glucoside

> <FORMULA>
C21H20O9

> <MASS>
416.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FIENOOOOPYEDMI-QNDFHXLGSA-N

> <INCHI>
InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-4-1-10(2-5-12)14-9-28-15-7-11(23)3-6-13(15)17(14)24/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1

> <SMILES>
OC1C=CC2C(=O)C(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
49862229

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 70606

> <CITATION>
-

$$$$